3-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate

Systemtic Name: 3-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: 3-[[5-(2,4-dichlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 3-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate IUPAC Name: 3-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Traditional Name: 3-[[5-(2,4-dichlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate Formula: C16H10Cl2N3O3S- MolecularWeight: 395.2399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCN2C(=S)OC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NCN2C(=S)OC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H11Cl2N3O3S/c17-10-4-5-12(13(18)7-10)14-20-21(16(25)24-14)8-19-11-3-1-2-9(6-11)15(22)23/h1-7,19H,8H2,(H,22,23)/p-1